SCHEMBL17437959

SCHEMBL17437959

COC(=O)c1cnn2c(C3CC3)c(OCc3ccccc3)ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRMT5 O14744 1/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ PKM P14618 1/20 0.43
▸ SPR P35270 1/20 0.42
▸ ROCK2 O75116 5/20 0.42
▸ LRRK2 Q5S007 2/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NOTUM Q6P988 1/20 0.40
▸ CTSV O60911 1/20 0.40
▸ CTSL P07711 1/20 0.40
▸ PLAT P00750 1/20 0.39
▸ SGMS2 Q8NHU3 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17454424 0.89 MAPT (0.46) ALDH1A1NPC1RAB9APKMROCK2
SCHEMBL17452656 0.86 ROCK2 (0.40) ALDH1A1NPC1RAB9AKDM4EPKM
SCHEMBL17437984 0.83 MAPT (0.44) PRMT5ALDH1A1RAB9AKDM4EGAA
SCHEMBL17437885 0.83 NOTUM (0.43) PRMT5PKMLRRK2NOTUMCTSV
SCHEMBL17454441 0.83 SPR (0.43) ALDH1A1KDM4EGAATSHRNPSR1
SCHEMBL17437909 0.82 PTGER1 (0.43) LRRK2NOTUM
SCHEMBL17452530 0.82 HTR1A (0.42) NPC1RAB9AKDM4ELRRK2NOTUM
SCHEMBL19128735 0.80 SPR (0.41) SPRROCK2
SCHEMBL19127952 0.80 SPR (0.43) SPRROCK2PLAT
SCHEMBL19150144 0.80 SPR (0.41) ALDH1A1KDM4EGAATSHRNPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11673886-B2 5-membered and bicyclic heterocyclic amides as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-13 — — US disclosed
US-11673886-B2 5-membered and bicyclic heterocyclic amides as inhibitors of ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2023-06-13 — — US disclosed
US-20220356179-A1 5-MEMBERED AND BICYCLIC HETEROCYCLIC AMIDES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2022-11-10 — — US disclosed
EP-3954681-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2022-02-16 — — EP disclosed
EP-3954681-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2022-02-16 — — EP disclosed
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 — — EP disclosed
EP-3402790-B1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-10-06 — — EP disclosed
US-11078197-B2 5-membered and bicyclic heterocyclic amides as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-03 — — US disclosed
US-11078197-B2 5-membered and bicyclic heterocyclic amides as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2021-08-03 — — US disclosed
EP-3652168-B1 5-MEMBERED AND BICYCLIC HETEROCYCLIC AMIDES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2021-06-30 — — EP disclosed
US-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-06-07 — — US disclosed
US-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL MYERS SQUIBB CO (US) 2018-06-07 — — US disclosed
US-9902702-B2 Spirocycloheptanes as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 — — US disclosed
US-9902702-B2 Spirocycloheptanes as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 — — US disclosed
US-9902702-B2 Spirocycloheptanes as inhibitors of rock BRISTOL-MYERS SQUIBB COMPANY (US) 2018-02-27 — — US disclosed
WO-2017123860-A1 SPIROHEPTANE SALICYLAMIDES AND RELATED COMPOUNDS AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2017-07-20 — — WO disclosed
EP-3169682-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK Bristol-Myers Squibb Company (US) 2017-05-24 — — EP disclosed
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 — — US disclosed
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY 2016-01-21 — — US disclosed
WO-2016010950-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK BRISTOL-MYERS SQUIBB COMPANY (US) 2016-01-21 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11673886-B2 5-membered and bicyclic heterocyclic amides as inhibitors of ROCK MYLK, ROCK1, ROCK2 PRMT5 39/4885ALDH1A1 3016/4885NPC1 4398/4885
US-11078197-B2 5-membered and bicyclic heterocyclic amides as inhibitors of rock MYLK, ROCK1, ROCK2 PRMT5 47/4885ALDH1A1 3032/4885NPC1 4344/4885
US-20220356179-A1 5-MEMBERED AND BICYCLIC HETEROCYCLIC AMIDES AS INHIBITORS OF ROCK MYLK, ROCK1, ROCK2 PRMT5 39/4885ALDH1A1 3016/4885NPC1 4398/4885
US-20180155296-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 PRMT5 1304/4885ALDH1A1 1252/4885NPC1 2709/4885
US-20160016914-A1 SPIROCYCLOHEPTANES AS INHIBITORS OF ROCK ROCK1, MYLK, ROCK2 PRMT5 1304/4885ALDH1A1 1252/4885NPC1 2709/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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